1-Methylsulfanylisoquinoline
TL;DR: 1-Methylsulfanylisoquinoline (CAS 42088-41-5) is a chemical compound with molecular formula C10H9NS and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylisoquinoline
Also Known As: 1-methylsulfanylisoquinoline, methylsulfanylisoquinoline, 1-(Methylthio)isoquinoline, isoquinoline, 1-methylthio-, 1-(METHYLSULFANYL)ISOQUINOLINE
| Molecular Formula | C10H9NS |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.04558 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 42088-41-5 |
|---|---|
| SMILES | CSC1=NC=CC2=CC=CC=C21 |
| InChIKey | JXBLZDYHEXHSLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylsulfanylisoquinoline (CAS 42088-41-5), with molecular formula C10H9NS and molecular weight 175.05 g/mol. IUPAC: 1-methylsulfanylisoquinoline.
Chemical Property Profile of 1-Methylsulfanylisoquinoline
Property Insights of 1-Methylsulfanylisoquinoline
The XLogP value of 3.1 indicates that 1-Methylsulfanylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 1-Methylsulfanylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylsulfanylisoquinoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methylsulfanylisoquinoline?
The CAS number of 1-Methylsulfanylisoquinoline is 42088-41-5.
What is the molecular formula of 1-Methylsulfanylisoquinoline?
The molecular formula of 1-Methylsulfanylisoquinoline is C10H9NS.
What is the molecular weight of 1-Methylsulfanylisoquinoline?
The molecular weight of 1-Methylsulfanylisoquinoline is 175.05 g/mol.
Where can I buy 1-Methylsulfanylisoquinoline?
You can request a quote for 1-Methylsulfanylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfanylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfanylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.